[chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate

C12H18ClN3SSn — CID 50921907

IUPAC[chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate
SMILESCC(C)=NN/C(=N/c1ccccc1)S[Sn](C)(C)Cl
InChIInChI=1S/C10H13N3S.2CH3.ClH.Sn/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9;;;;/h3-7H,1-2H3,(H2,11,13,14);2*1H3;1H;/q;;;;+2/p-2
InChIKeyAYDWTAAYVKOGPW-UHFFFAOYSA-L
MW390.53 g/mol
LogP4.33
Rot. Bonds3

About [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate

[chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate (PubChem CID 50921907) has the molecular formula C12H18ClN3SSn and a molecular weight of 390.53 g/mol. Its IUPAC name is [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate.

Molecular Properties

Compound Name[chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate
PubChem CID50921907
Molecular FormulaC12H18ClN3SSn
Molecular Weight390.53 g/mol
Exact Mass390.99
IUPAC Name[chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate
SMILESCC(C)=NN/C(=N/c1ccccc1)S[Sn](C)(C)Cl
InChIInChI=1S/C10H13N3S.2CH3.ClH.Sn/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9;;;;/h3-7H,1-2H3,(H2,11,13,14);2*1H3;1H;/q;;;;+2/p-2
InChIKeyAYDWTAAYVKOGPW-UHFFFAOYSA-L
XLogP4.33
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate?
The IUPAC name of [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate (CID 50921907) is [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate.
What is the SMILES notation for [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate?
The canonical SMILES for [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate is CC(C)=NN/C(=N/c1ccccc1)S[Sn](C)(C)Cl.
What is the InChIKey of [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate?
The InChIKey is AYDWTAAYVKOGPW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H13N3S.2CH3.ClH.Sn/c1-8(2)12-13-10(14)11-9-6-4-3-5-7-9;;;;/h3-7H,1-2H3,(H2,11,13,14);2*1H3;1H;/q;;;;+2/p-2.
What are the key properties of [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate?
[chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate has a molecular weight of 390.53 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(dimethyl)stannyl] N'-phenyl-N-(propan-2-ylideneamino)carbamimidothioate is sourced from PubChem (CID 50921907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).